N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide

C16H25FN2O2 — CID 119657407

IUPACN-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CCC(N)C(C)C)cc1F
InChIInChI=1S/C16H25FN2O2/c1-11(2)14(18)7-8-19(3)16(20)10-12-5-6-15(21-4)13(17)9-12/h5-6,9,11,14H,7-8,10,18H2,1-4H3
InChIKeyWTEBLDBLJNBJIK-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide (PubChem CID 119657407) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
PubChem CID119657407
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CCC(N)C(C)C)cc1F
InChIInChI=1S/C16H25FN2O2/c1-11(2)14(18)7-8-19(3)16(20)10-12-5-6-15(21-4)13(17)9-12/h5-6,9,11,14H,7-8,10,18H2,1-4H3
InChIKeyWTEBLDBLJNBJIK-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691558
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
N-(3-amino-4-methylpentyl)-2-(3-bromo-4-fluorophenyl)-N-methylacetamide;hydrochloride
CID 119659943
N-(3-amino-4-methylpentyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119660409
N-(3-amino-4-methylpentyl)-3-(3-bromo-4-methoxyphenyl)-N-methylpropanamide
CID 119658573
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
2-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039056
N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 86907560
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
1-(3-fluoro-4-methoxyphenyl)-3-hydroxybutan-2-one
CID 103451541
N-(3-amino-4-methylpentyl)-N-methyl-2-(6-methyl-3-pyridinyl)acetamide;dihydrochloride
CID 119660207

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide (CID 119657407) is N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)CCC(N)C(C)C)cc1F.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The InChIKey is WTEBLDBLJNBJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(2)14(18)7-8-19(3)16(20)10-12-5-6-15(21-4)13(17)9-12/h5-6,9,11,14H,7-8,10,18H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide has a molecular weight of 296.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 119657407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).